4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide

C22H21N3O3S — CID 6868259

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-17-8-10-18(11-9-17)16-23-24-22(26)19-12-14-20(15-13-19)25(2)29(27,28)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,24,26)/b23-16+
InChIKeyBZOAOCYZWNOGIN-XQNSMLJCSA-N
MW407.50 g/mol
LogP3.58
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (PubChem CID 6868259) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
PubChem CID6868259
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c1-17-8-10-18(11-9-17)16-23-24-22(26)19-12-14-20(15-13-19)25(2)29(27,28)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,24,26)/b23-16+
InChIKeyBZOAOCYZWNOGIN-XQNSMLJCSA-N
XLogP3.58
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (CID 6868259) is 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is BZOAOCYZWNOGIN-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-17-8-10-18(11-9-17)16-23-24-22(26)19-12-14-20(15-13-19)25(2)29(27,28)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,24,26)/b23-16+.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 407.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6868259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).